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2-Amino-7-methyl-5-oxo-4-phenyl-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
TL;DR: 2-Amino-7-methyl-5-oxo-4-phenyl-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile (CAS 194282-72-9) is a chemical compound with molecular formula C16H12N2O3 and molecular weight 280.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyran-3-carbonitrile
Also Known As: TIMTEC-BB SBB001132, 2-Amino-7-methyl-5-oxo-4-phenyl-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, BAS 00666664, 2-amino-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyran-3-carbonitrile, AB00074605-01
| Molecular Formula | C16H12N2O3 |
|---|---|
| Molecular Weight | 280.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.08478 |
| Heavy Atoms | 21 |
| Complexity | 627.0 |
Chemical Identifiers
| CAS Number | 194282-72-9 |
|---|---|
| SMILES | CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3)C(=O)O1 |
| InChIKey | YUBIPEJSAWGMBV-UHFFFAOYSA-N |
Product Overview
2-Amino-7-methyl-5-oxo-4-phenyl-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile (CAS 194282-72-9), with molecular formula C16H12N2O3 and molecular weight 280.08 g/mol. IUPAC: 2-amino-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyran-3-carbonitrile.
Chemical Property Profile of 2-Amino-7-methyl-5-oxo-4-phenyl-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
Property Insights of 2-Amino-7-methyl-5-oxo-4-phenyl-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-7-methyl-5-oxo-4-phenyl-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-7-methyl-5-oxo-4-phenyl-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile. Following Lipinski's Rule of Five, 2-Amino-7-methyl-5-oxo-4-phenyl-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Amino-7-methyl-5-oxo-4-phenyl-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile?
The CAS number of 2-Amino-7-methyl-5-oxo-4-phenyl-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile is 194282-72-9.
What is the molecular formula of 2-Amino-7-methyl-5-oxo-4-phenyl-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile?
The molecular formula of 2-Amino-7-methyl-5-oxo-4-phenyl-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile is C16H12N2O3.
What is the molecular weight of 2-Amino-7-methyl-5-oxo-4-phenyl-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile?
The molecular weight of 2-Amino-7-methyl-5-oxo-4-phenyl-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile is 280.08 g/mol.
Where can I buy 2-Amino-7-methyl-5-oxo-4-phenyl-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile?
You can request a quote for 2-Amino-7-methyl-5-oxo-4-phenyl-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-7-methyl-5-oxo-4-phenyl-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-7-methyl-5-oxo-4-phenyl-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.